tert-butyl N-[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-4-yl]carbamate

C15H23BrN4O4S — CID 66820095

IUPACtert-butyl N-[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C15H23BrN4O4S/c1-15(2,3)24-14(21)19-11-4-6-20(7-5-11)25(22,23)12-8-10(16)9-18-13(12)17/h8-9,11H,4-7H2,1-3H3,(H2,17,18)(H,19,21)
InChIKeyUTIHQNKQCTWINT-UHFFFAOYSA-N
MW435.34 g/mol
LogP2.10
Rot. Bonds3

About tert-butyl N-[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-4-yl]carbamate (PubChem CID 66820095) has the molecular formula C15H23BrN4O4S and a molecular weight of 435.34 g/mol. Its IUPAC name is tert-butyl N-[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-4-yl]carbamate
PubChem CID66820095
Molecular FormulaC15H23BrN4O4S
Molecular Weight435.34 g/mol
Exact Mass434.06
IUPAC Nametert-butyl N-[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C15H23BrN4O4S/c1-15(2,3)24-14(21)19-11-4-6-20(7-5-11)25(22,23)12-8-10(16)9-18-13(12)17/h8-9,11H,4-7H2,1-3H3,(H2,17,18)(H,19,21)
InChIKeyUTIHQNKQCTWINT-UHFFFAOYSA-N
XLogP2.10
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-4-yl]carbamate (CID 66820095) is tert-butyl N-[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2cc(Br)cnc2N)CC1.
What is the InChIKey of tert-butyl N-[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-4-yl]carbamate?
The InChIKey is UTIHQNKQCTWINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O4S/c1-15(2,3)24-14(21)19-11-4-6-20(7-5-11)25(22,23)12-8-10(16)9-18-13(12)17/h8-9,11H,4-7H2,1-3H3,(H2,17,18)(H,19,21).
What are the key properties of tert-butyl N-[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-4-yl]carbamate has a molecular weight of 435.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 66820095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).